Ligand |
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Ligand Name: Ajoene | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB494 | PubChem: 76962524 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: C=CCSS/C=C/C[S@](=O)CC=C | ||
Standard InChI: InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m1/s1 | ||
Molecular Formula: C9H14OS3 | Mol. Weight: 234.02068 | logP: 3.0022 |
HBD: 0 | HBA: 3 | |
#Rotatable Bonds: 8 | TPSA: 17.07 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Glutathione reductase, mitochondrial | P00390 (GSHR_HUMAN) | Homo sapiens (Human) | 1BWC | AJ3 |
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